Geometry & MOs

Info

ID:	442622
PubChem CID:	135253409
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	467.216869
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	5.72
IP(EA), eV:	-9.56(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[[2-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-5-methylpyrazol-3-yl]amino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)O)CC3CCCCC3

DOS

IR

Vibrations